methyl 2-amino-3-hydroxy-2-methylpropanoate

C5H11NO3 — CID 10931849

IUPACmethyl 2-amino-3-hydroxy-2-methylpropanoate
SMILESCOC(=O)C(C)(N)CO
InChIInChI=1S/C5H11NO3/c1-5(6,3-7)4(8)9-2/h7H,3,6H2,1-2H3
InChIKeyVKHHAZQVRNQDHW-UHFFFAOYSA-N
MW133.15 g/mol
LogP-1.13
Rot. Bonds2

About methyl 2-amino-3-hydroxy-2-methylpropanoate

methyl 2-amino-3-hydroxy-2-methylpropanoate (PubChem CID 10931849) has the molecular formula C5H11NO3 and a molecular weight of 133.15 g/mol. Its IUPAC name is methyl 2-amino-3-hydroxy-2-methylpropanoate.

Molecular Properties

Compound Namemethyl 2-amino-3-hydroxy-2-methylpropanoate
PubChem CID10931849
Molecular FormulaC5H11NO3
Molecular Weight133.15 g/mol
Exact Mass133.07
IUPAC Namemethyl 2-amino-3-hydroxy-2-methylpropanoate
SMILESCOC(=O)C(C)(N)CO
InChIInChI=1S/C5H11NO3/c1-5(6,3-7)4(8)9-2/h7H,3,6H2,1-2H3
InChIKeyVKHHAZQVRNQDHW-UHFFFAOYSA-N
XLogP-1.13
TPSA72.55 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500133.15
LogP ≤ 5-1.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl 2-amino-3-hydroxy-2-methylpropanoate?
The IUPAC name of methyl 2-amino-3-hydroxy-2-methylpropanoate (CID 10931849) is methyl 2-amino-3-hydroxy-2-methylpropanoate.
What is the SMILES notation for methyl 2-amino-3-hydroxy-2-methylpropanoate?
The canonical SMILES for methyl 2-amino-3-hydroxy-2-methylpropanoate is COC(=O)C(C)(N)CO.
What is the InChIKey of methyl 2-amino-3-hydroxy-2-methylpropanoate?
The InChIKey is VKHHAZQVRNQDHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H11NO3/c1-5(6,3-7)4(8)9-2/h7H,3,6H2,1-2H3.
What are the key properties of methyl 2-amino-3-hydroxy-2-methylpropanoate?
methyl 2-amino-3-hydroxy-2-methylpropanoate has a molecular weight of 133.15 g/mol, XLogP of -1.13, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-amino-3-hydroxy-2-methylpropanoate is sourced from PubChem (CID 10931849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).